Geometry & MOs

Info

ID:	174061
PubChem CID:	75717755
Reduced:	SN3O6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-128.62
Dipole, Da:	11.18
IP(EA), eV:	-9.7(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N,3-dimethylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])N(C)C(=O)C=C(C)C

DOS

IR

Vibrations